Monomers

N-Allylstearamide

Identifiers

IUPAC name
N-prop-2-enyloctadecanamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
HKKGHYAJDLYYNC-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C21H41NO
Heavy Atom Count
23
Molecular Weight
323.565
Exact Molecular Weight
323.3188
Valence Electrons
136
Radical Electrons
0
tPSA
29.1
MolLogP
6.5501
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 64 63  0  0  0  0  0  0  0  0999 V2000
   -6.0963   -2.2775    3.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583   -1.5979    1.7862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5403   -2.3270    1.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9930   -1.9595   -0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4257   -0.6184   -0.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3242    0.5492   -0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5859    1.8566   -0.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5118    2.2009    0.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8380    3.4833   -0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2265    3.6639   -1.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1201    2.7897   -1.9154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3939    1.3722   -2.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6916    0.5521   -2.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9660    0.2842   -2.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9294    1.3492   -1.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1909    0.7088   -1.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9764   -0.0622    0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3019   -0.6112    0.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3152   -0.3649   -0.1051 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4089   -1.3858    1.7309 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6559   -1.9300    2.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1731   -2.8320    1.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3539   -4.1148    1.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5905   -3.2346    2.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2342   -2.3412    3.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8331   -1.5892    3.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2684   -0.5781    2.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5570   -1.4428    1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9070   -3.4161    1.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6702   -2.4522    1.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1992   -2.7279   -0.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7752   -2.1441   -0.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9103   -0.6313   -1.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5363   -0.4247    0.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9819    0.7076    0.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0089    0.4326   -1.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3857    2.6449   -0.6662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2574    1.7793   -1.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0954    2.4774    1.2267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8451    1.3952    0.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6115    4.3179    0.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0918    3.6608    0.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7764    4.7225   -1.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0031    3.7699   -2.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2159    3.2467   -2.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7472    2.9622   -1.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2221    1.3457   -2.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8654    0.8673   -1.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8570    0.9288   -3.7767 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2189   -0.4859   -2.9408 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7516   -0.2267   -1.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5498   -0.5109   -2.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    2.1541   -1.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2788    1.7895   -2.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6394    0.0654   -1.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8970    1.5393   -0.9629 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3163   -0.9454   -0.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5314    0.5299    0.8884 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5493   -1.5833    2.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3846   -1.0969    2.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5495   -2.4858    3.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3940   -2.4688    0.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7185   -4.7685    0.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1360   -4.5113    2.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  3
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  6 36  1  0
  7 37  1  0
  7 38  1  0
  8 39  1  0
  8 40  1  0
  9 41  1  0
  9 42  1  0
 10 43  1  0
 10 44  1  0
 11 45  1  0
 11 46  1  0
 12 47  1  0
 12 48  1  0
 13 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 16 55  1  0
 16 56  1  0
 17 57  1  0
 17 58  1  0
 20 59  1  0
 21 60  1  0
 21 61  1  0
 22 62  1  0
 23 63  1  0
 23 64  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers